Information card for entry 4301097

Structure parameters

• Formula: C41 H24 Cl2 N2 O7 Re2
• Calculated formula: C41 H24 Cl2 N2 O7 Re2
• SMILES: [Re]1([n]2c(c3c(C1(c1ccccc1)c1ccccc1)cccc3)c1[n]([Re](c3c1cccc3)(C#[O])(C#[O])(C#[O])C#[O])c1c2cccc1)(C#[O])(C#[O])C#[O].ClCCl
• Title of publication: Stable and Highly Persistent Quinoxaline-Centered Metalloorganic Radical Anions: Preparation, Structural, Spectroscopic, and Computational Investigations
• Authors of publication: Sylvie Choua; Jean-Pierre Djukic; Jérôme Dalléry; André Bieber; Richard Welter; Jean-Paul Gisselbrecht; Philippe Turek; Louis Ricard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 149 - 163
• a: 12.016 ± 0.002 Å
• b: 12.949 ± 0.002 Å
• c: 13.764 ± 0.003 Å
• α: 101.64 ± 0.05°
• β: 102.18 ± 0.05°
• γ: 112.15 ± 0.05°
• Cell volume: 1842.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No